CID 205408

Thiazole, 5-(2-((3-(diethylamino)propyl)amino)ethyl)-4-methyl-, trihydrochloride

Structural Information

Molecular Formula
C13H25N3S
SMILES
CCN(CC)CCCNCCC1=C(N=CS1)C
InChI
InChI=1S/C13H25N3S/c1-4-16(5-2)10-6-8-14-9-7-13-12(3)15-11-17-13/h11,14H,4-10H2,1-3H3
InChIKey
QECIKFOIYXTAQS-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17693 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18421 161.9
[M+Na]+ 278.16615 167.2
[M-H]- 254.16965 165.1
[M+NH4]+ 273.21075 180.4
[M+K]+ 294.14009 164.8
[M+H-H2O]+ 238.17419 153.8
[M+HCOO]- 300.17513 181.7
[M+CH3COO]- 314.19078 204.1
[M+Na-2H]- 276.15160 161.9
[M]+ 255.17638 166.9
[M]- 255.17748 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.